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4-(ETHOXYCARBONYL)-5-ISOBUTYL-1-(4-METHOXYPHENYL)-1H-PYRAZOLE-3-CARBOXYLIC-ACID

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4-(ETHOXYCARBONYL)-5-ISOBUTYL-1-(4-METHOXYPHENYL)-1H-PYRAZOLE-3-CARBOXYLIC-ACID
SpectraBase Compound ID AsoyEb3wVW3
InChI InChI=1S/C18H22N2O5/c1-5-25-18(23)15-14(10-11(2)3)20(19-16(15)17(21)22)12-6-8-13(24-4)9-7-12/h6-9,11H,5,10H2,1-4H3,(H,21,22)
InChIKey HBTHMIPPIGPZRK-UHFFFAOYSA-N
Mol Weight 346.38 g/mol
Molecular Formula C18H22N2O5
Exact Mass 346.152872 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GbgdLD5SvPV
Name 4-(ETHOXYCARBONYL)-5-ISOBUTYL-1-(4-METHOXYPHENYL)-1H-PYRAZOLE-3-CARBOXYLIC-ACID
Compound Number 12M
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H22N2O5
InChI InChI=1S/C18H22N2O5/c1-5-25-18(23)15-14(10-11(2)3)20(19-16(15)17(21)22)12-6-8-13(24-4)9-7-12/h6-9,11H,5,10H2,1-4H3,(H,21,22)
InChIKey HBTHMIPPIGPZRK-UHFFFAOYSA-N
Literature Reference Author C.F.MORELLI,A.SALADINO,G.SPERANZA,P.MANITTO
Literature Reference Citation EUR.J.ORG.CHEM.,4621(2005)
Molecular Weight 346.383 g/mol
Sample ID 30578
Solvent CDCl3